Geometry & MOs

Info

ID:

406814

PubChem CID:

135078682

Reduced:

NO2C16H18 (1)

Stoich.:

AB2C16D18 (1)

Weight, g/mol:

113.969254

ΔHf, kcal/mol:

-32.7

Dipole, Da:

1.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.064901

Charge, e:

 0

Chem-info

IUPAC name:

chloro(diethynyl)silane

Drug info:

PubChemData

Smile

CC(=[NH+]C1=CC(=CC(=C1)OC)OC)C2=CC=CC=C2

DOS

IR

Vibrations